CID 3064574

Brn 3403116

Structural Information

Molecular Formula

C₁₈H₂₁NO₃

SMILES

COC1=C(C=CC(=C1)CNC(=O)CCCC2=CC=CC=C2)O

InChI

InChI=1S/C18H21NO3/c1-22-17-12-15(10-11-16(17)20)13-19-18(21)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H,19,21)

InChIKey

ISHGIHUSXUJBAR-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 299.15213 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.159406	171.2
[M+Na]+	322.141348	176.4
[M-H]-	298.144854	176.1
[M+NH4]+	317.185953	185.1
[M+K]+	338.115288	172.3
[M+H-H2O]+	282.149390	162.9
[M+HCOO]-	344.150331	193.5
[M+CH3COO]-	358.165981	204.3
[M+Na-2H]-	320.126796	174.3
[M]+	299.15158142	172.7
[M]-	299.15267858	172.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.